2-(3,5-dimethylpyridin-1-ium-1-yl)-4-oxo-3-thiophen-2-ylsulfonyliminonaphthalen-1-olate
TL;DR: 2-(3,5-dimethylpyridin-1-ium-1-yl)-4-oxo-3-thiophen-2-ylsulfonyliminonaphthalen-1-olate (CAS 1039726-96-9) is a chemical compound with molecular formula C21H16N2O4S2 and molecular weight 424.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,5-dimethylpyridin-1-ium-1-yl)-4-oxo-3-thiophen-2-ylsulfonyliminonaphthalen-1-olate
Also Known As: 2-(3,5-dimethylpyridin-1-ium-1-yl)-4-oxo-3-thiophen-2-ylsulfonyliminonaphthalen-1-olate, 2-(3,5-dimethylpyridin-1-yl)-4-oxo-3-thiophen-2-ylsulfonylimino-naphthalen-1-olate
| Molecular Formula | C21H16N2O4S2 |
|---|---|
| Molecular Weight | 424.06 g/mol |
| LogP | 2.36474 |
| Topological Polar Surface Area | 90.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 424.05515 |
| Heavy Atoms | 29 |
| Complexity | 1283.9589 |
Chemical Identifiers
| CAS Number | 1039726-96-9 |
|---|---|
| SMILES | CC1=CC(=C[N+](=C1)C2=C(C3=CC=CC=C3C(=O)C2=NS(=O)(=O)C4=CC=CS4)[O-])C |
Product Overview
2-(3,5-dimethylpyridin-1-ium-1-yl)-4-oxo-3-thiophen-2-ylsulfonyliminonaphthalen-1-olate (CAS 1039726-96-9), with molecular formula C21H16N2O4S2 and molecular weight 424.06 g/mol. IUPAC: 2-(3,5-dimethylpyridin-1-ium-1-yl)-4-oxo-3-thiophen-2-ylsulfonyliminonaphthalen-1-olate.
Chemical Property Profile of 2-(3,5-dimethylpyridin-1-ium-1-yl)-4-oxo-3-thiophen-2-ylsulfonyliminonaphthalen-1-olate
Property Insights of 2-(3,5-dimethylpyridin-1-ium-1-yl)-4-oxo-3-thiophen-2-ylsulfonyliminonaphthalen-1-olate
The XLogP value of 2.36474 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3,5-dimethylpyridin-1-ium-1-yl)-4-oxo-3-thiophen-2-ylsulfonyliminonaphthalen-1-olate. The TPSA of 90.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3,5-dimethylpyridin-1-ium-1-yl)-4-oxo-3-thiophen-2-ylsulfonyliminonaphthalen-1-olate. Following Lipinski's Rule of Five, 2-(3,5-dimethylpyridin-1-ium-1-yl)-4-oxo-3-thiophen-2-ylsulfonyliminonaphthalen-1-olate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(3,5-dimethylpyridin-1-ium-1-yl)-4-oxo-3-thiophen-2-ylsulfonyliminonaphthalen-1-olate?
The CAS number of 2-(3,5-dimethylpyridin-1-ium-1-yl)-4-oxo-3-thiophen-2-ylsulfonyliminonaphthalen-1-olate is 1039726-96-9.
What is the molecular formula of 2-(3,5-dimethylpyridin-1-ium-1-yl)-4-oxo-3-thiophen-2-ylsulfonyliminonaphthalen-1-olate?
The molecular formula of 2-(3,5-dimethylpyridin-1-ium-1-yl)-4-oxo-3-thiophen-2-ylsulfonyliminonaphthalen-1-olate is C21H16N2O4S2.
What is the molecular weight of 2-(3,5-dimethylpyridin-1-ium-1-yl)-4-oxo-3-thiophen-2-ylsulfonyliminonaphthalen-1-olate?
The molecular weight of 2-(3,5-dimethylpyridin-1-ium-1-yl)-4-oxo-3-thiophen-2-ylsulfonyliminonaphthalen-1-olate is 424.06 g/mol.
Where can I buy 2-(3,5-dimethylpyridin-1-ium-1-yl)-4-oxo-3-thiophen-2-ylsulfonyliminonaphthalen-1-olate?
You can request a quote for 2-(3,5-dimethylpyridin-1-ium-1-yl)-4-oxo-3-thiophen-2-ylsulfonyliminonaphthalen-1-olate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,5-dimethylpyridin-1-ium-1-yl)-4-oxo-3-thiophen-2-ylsulfonyliminonaphthalen-1-olate?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,5-dimethylpyridin-1-ium-1-yl)-4-oxo-3-thiophen-2-ylsulfonyliminonaphthalen-1-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.